LAMMPS (19 Mar 2020)
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (../comm.cpp:94)
  using 1 OpenMP thread(s) per MPI task
# bfo in a 3d periodic box

units 		metal
dimension 	3
boundary 	p p f
atom_style 	spin

# necessary for the serial algorithm (sametag)
atom_modify 	map array

lattice 	sc 3.96
Lattice spacing in x,y,z = 3.96 3.96 3.96
region 		box block 0.0 34.0 0.0 34.0 0.0 1.0
create_box 	1 box
Created orthogonal box = (0 0 0) to (134.64 134.64 3.96)
  2 by 2 by 1 MPI processor grid
create_atoms 	1 box
Created 1156 atoms
  create_atoms CPU = 0.00098896 secs

# setting mass, mag. moments, and interactions for bcc iron

mass		1 1.0
set 		group all spin/random 11 2.50
  1156 settings made for spin/random

pair_style 	hybrid/overlay spin/exchange 6.0 spin/magelec 4.5 spin/dmi 4.5
pair_coeff 	* * spin/exchange exchange 6.0 -0.01575 0.0 1.965
#pair_coeff 	* * spin/magelec magelec 4.5 0.000109 1.0 1.0 1.0
pair_coeff 	* * spin/magelec magelec 4.5 0.00109 1.0 1.0 1.0
pair_coeff 	* * spin/dmi dmi 4.5 0.00005 1.0 1.0 1.0

neighbor 	0.1 bin
neigh_modify 	every 10 check yes delay 20

fix 		1 all precession/spin anisotropy 0.0000033 0.0 0.0 1.0
fix_modify	1 energy yes

timestep	0.0001

compute 	out_mag    all spin
compute 	out_pe     all pe
compute 	out_ke     all ke
compute 	out_temp   all temp

variable 	magz      equal c_out_mag[3]
variable 	magnorm   equal c_out_mag[4]
variable 	emag      equal c_out_mag[5]
variable 	tmag      equal c_out_mag[6]

thermo          50
thermo_style    custom step time v_magnorm v_emag v_tmag temp etotal
thermo_modify   format float %20.15g

compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
dump 		1 all custom 50 dump.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3] c_outsp[4] c_outsp[5] c_outsp[6] c_outsp[7]

min_style	spin/lbfgs
# min_modify 	line spin_cubic discrete_factor 10.0
min_modify	norm max
minimize        1.0e-15 1.0e-10 1000 100
WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (../min.cpp:190)
WARNING: Line search incompatible gneb (../min_spin_lbfgs.cpp:109)
WARNING: Using spin pair style without nve/spin or neb/spin (../pair_spin.cpp:88)
WARNING: Using spin pair style without nve/spin or neb/spin (../pair_spin.cpp:88)
WARNING: Using spin pair style without nve/spin or neb/spin (../pair_spin.cpp:88)
Neighbor list info ...
  update every 1 steps, delay 0 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1
  ghost atom cutoff = 6.1
  binsize = 3.05, bins = 45 45 2
  3 neighbor lists, perpetual/occasional/extra = 3 0 0
  (1) pair spin/exchange, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair spin/magelec, perpetual, copy from (1)
      attributes: full, newton on
      pair build: copy
      stencil: none
      bin: none
  (3) pair spin/dmi, perpetual, copy from (1)
      attributes: full, newton on
      pair build: copy
      stencil: none
      bin: none
Per MPI rank memory allocation (min/avg/max) = 7.619 | 7.619 | 7.619 Mbytes
Step Time v_magnorm v_emag v_tmag Temp TotEng 
       0                    0   0.0205636053306396   -0.109252321944234     1537.40479337332                    0   -0.109252321944234 
      50                0.005  0.00080055793810568    -9.65918446070018    0.293526226015742                    0    -9.65918446070018 
     100                 0.01 0.000434178089299568    -9.81803976800935    0.136842091062742                    0    -9.81803976800936 
     150                0.015 9.48305696976556e-06    -9.85315267463944 0.000835124161214539                    0    -9.85315267463943 
     200                 0.02 9.48404729540188e-06    -9.85364693589303 7.83955637621785e-06                    0    -9.85364693589302 
     250                0.025 2.53129638591035e-07    -9.85364764689316 5.38044599466511e-08                    0    -9.85364764689315 
     300                 0.03 1.70353573452093e-08    -9.85364764787448 5.65371929906417e-11                    0    -9.85364764787448 
     318               0.0318 1.78606698438076e-09    -9.85364764787558 5.01580212144594e-14                    0    -9.85364764787559 
Loop time of 0.107177 on 4 procs for 318 steps with 1156 atoms

99.6% CPU use with 4 MPI tasks x 1 OpenMP threads

Minimization stats:
  Stopping criterion = energy tolerance
  Energy initial, next-to-last, final = 
       -0.109252321944     -9.85364764788     -9.85364764788
  Force two-norm initial, final = 0 0
  Force max component initial, final = 0 0
  Final line search alpha, max atom move = 0 0
  Iterations, force evaluations = 318 318

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.074155   | 0.077992   | 0.081876   |   1.2 | 72.77
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.005573   | 0.0094561  | 0.013285   |   3.4 |  8.82
Output  | 0.005054   | 0.0050632  | 0.0050869  |   0.0 |  4.72
Modify  | 0.00055051 | 0.00058657 | 0.00066018 |   0.0 |  0.55
Other   |            | 0.01408    |            |       | 13.14

Nlocal:    289 ave 289 max 289 min
Histogram: 4 0 0 0 0 0 0 0 0 0
Nghost:    111 ave 111 max 111 min
Histogram: 4 0 0 0 0 0 0 0 0 0
Neighs:    0 ave 0 max 0 min
Histogram: 4 0 0 0 0 0 0 0 0 0
FullNghs:  2312 ave 2312 max 2312 min
Histogram: 4 0 0 0 0 0 0 0 0 0

Total # of neighbors = 9248
Ave neighs/atom = 8
Neighbor list builds = 0
Dangerous builds = 0

Please see the log.cite file for references relevant to this simulation

Total wall time: 0:00:00
